SCHEMBL6229121

SCHEMBL6229121

COc1ccc(C2C=NN(C)C(=O)C2)cc1OCC1(C)CC1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 13/20 0.40
PDE4B Q07343 7/20 0.40
PDE4C Q08493 7/20 0.40
PDE4D Q08499 7/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.36
TRPC6 Q9Y210 1/20 0.36
RAB9A P51151 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6232071 0.86 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL6234381 0.83 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL6232717 0.83 PDE4B (0.50) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL6230195 0.83 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL6232676 0.83 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL6231023 0.81 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL6226932 0.80 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL6227157 0.79 SIGMAR1 (0.48) PDE4APDE4BPDE4CPDE4D
SCHEMBL6227674 0.77 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL6233098 0.75 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0933366-B1 5-PHENYL-3-PYRIDAZINONE DERIVATIVES AND DRUG COMPOSITIONS CONTAINING THE SAME NIKKEN CHEMICALS CO LTD (JP) 2005-04-06 EP disclosed
US-6235739-B1 ANTIINFLAMMATORY AGENTS; ANTIHISTAMINES; SKIN DISORDERS NIKKEN CHEMICALS CO., LTD. (JP) 2001-05-22 US disclosed
EP-0933366-A1 5-PHENYL-3-PYRIDAZINONE DERIVATIVES AND DRUG COMPOSITIONS CONTAINING THE SAME Nikken Chemicals Company, Limited (JP) 1999-08-04 EP disclosed